#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103661.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8103661
loop_
_publ_author_name
'Kennedy, S.W.'
'Patterson, J.H.'
_publ_section_title
;
 Structural study of thallous nitrate III
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              143
_journal_page_last               148
_journal_volume                  116
_journal_year                    1961
_chemical_formula_sum            'N O3 Tl'
_chemical_name_systematic        'Tl (N O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.287
_cell_length_b                   12.31
_cell_length_c                   8.001
_cell_volume                     619.221
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Kennedy_ZEKGAX_1961_1666.cif
_cod_data_source_block           N1O3Tl1
_cod_original_cell_volume        619.2213
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'N1 O3 Tl1'
_cod_database_code               8103661
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Tl1 Tl+3 0.213 0.125 0.5 1 0.0
N1 N+3 0.297 0.371 0.25 1 0.0
O3 O-2 0.022 0.08 0.25 1 0.0
O4 O-2 0.685 0.036 0.25 1 0.0
O5 O-2 0.782 0.207 0.25 1 0.0
O1 O-2 0.198 0.375 0.117 1 0.0
N2 N+3 0.329 0.108 0.25 1 0.0
O2 O-2 0.516 0.361 0.25 1 0.0
